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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmInAu2 by Materials Project

SmAu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sm–Au bond lengths are 3.08 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent In atoms. All Au–In bond lengths are 3.08 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmInAu by Materials Project

SmAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.14 Å) and one longer (3.21 Å) Sm–Au bond lengths. There are two shorter (3.34 Å) and four longer (3.49 Å) Sm–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent In atoms. All Au–In bond lengths are 2.87 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent In atoms. All Au–In bond lengths are 2.96 Å. In is bonded in a 4-coordinate geometry to six equivalent Sm and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2InAu2 by Materials Project

Sm2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (3.00 Å) and four longer (3.11 Å) Sm–Au bond lengths. All Sm–In bond lengths are 3.56 Å. Au is bonded in a 9-coordinate geometry to six equivalent Sm, one Au, and two equivalent In atoms. The Au–Au bond length is 2.88 Å. Both Au–In bond lengths are 3.20 Å. In is bonded to eight equivalent Sm and four equivalent Au atoms to form a mixture of face and corner-sharing InSm8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗